Iodide Ion → tert-butyl N-[6-methyl-7-[(1-tritylpyrazolo[3,4-b]pyridin-4-yl)carbamoyl]-3,4-dihydro-2H-thiochromen-4-yl]carbamate

HRID 307281

Reaction equation

HRID 307281 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][S:12][c:13]2[cH:14][c:15]([C:20](=[O:21])[OH:22])[c:16]([CH3:19])[cH:17][c:18]21.[Cl:53][c:54]1[cH:55][cH:56][cH:57][cH:58][n+:59]1[CH3:60].[I-:52].[NH2:23][c:24]1[c:25]2[c:26]([n:27][cH:28][cH:29]1)[n:30]([C:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[n:31][cH:32]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][S:12][c:13]2[cH:14][c:15]([C:20](=[O:22])[NH:23][c:24]3[c:25]4[c:26]([n:27][cH:28][cH:29]3)[n:30]([C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[n:31][cH:32]4)[c:16]([CH3:19])[cH:17][c:18]21

Participants

5

Reactant 4

HCID 30165Iodide IonHCID 1670702-Chloro-1-methylpyridiniumHCID 223373794-(Tert-butoxycarbonylamino)-6-methylthiochromane-7-carboxylic acidHCID 223374704-Amino-1-triphenylmethylpyrazolo[3,4-b]pyridine

Product 1

HCID 22337353tert-butyl N-[6-methyl-7-[(1-tritylpyrazolo[3,4-b]pyridin-4-yl)carbamoyl]-3,4-dihydro-2H-thiochromen-4-yl]carbamate

Sources & evidence

ORD record
ord-285be8ae4dbe4b2a89ce7715492b1131
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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